S-(5-cyano-3,3-dimethyl-8-morpholin-4-yl-1,4-dihydropyrano[3,4-c]pyridin-7-ium-6-yl) benzenecarbothioate

Systemtic Name: S-(5-cyano-3,3-dimethyl-8-morpholin-4-yl-1,4-dihydropyrano[3,4-c]pyridin-7-ium-6-yl) benzenecarbothioate Openeye Name: S-(5-cyano-3,3-dimethyl-8-morpholino-1,4-dihydropyrano[3,4-c]pyridin-7-ium-6-yl) benzenecarbothioate CAS Name: benzenecarbothioic acid S-[5-cyano-3,3-dimethyl-8-(4-morpholinyl)-1,4-dihydropyrano[3,4-c]pyridin-7-ium-6-yl] ester IUPAC Name: S-(5-cyano-3,3-dimethyl-8-morpholin-4-yl-1,4-dihydropyrano[3,4-c]pyridin-7-ium-6-yl) benzenecarbothioate Traditional Name: thiobenzoic acid S-(5-cyano-3,3-dimethyl-8-morpholino-1,4-dihydropyrano[3,4-c]pyridin-7-ium-6-yl) ester Formula: C22H24N3O3S+ MolecularWeight: 410.50926

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(C(=[NH+]C(=C2CO1)N3CCOCC3)SC(=O)C4=CC=CC=C4)C#N)C

Isomeric SMILES

CC1(CC2=C(C(=[NH+]C(=C2CO1)N3CCOCC3)SC(=O)C4=CC=CC=C4)C#N)C

InChI

InChI=1S/C22H23N3O3S/c1-22(2)12-16-17(13-23)20(29-21(26)15-6-4-3-5-7-15)24-19(18(16)14-28-22)25-8-10-27-11-9-25/h3-7H,8-12,14H2,1-2H3/p+1